Vitas-M small molecule compound
2-[(E)-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl)acetyl]hydrazinylidene}methyl]-6-(prop-2-en-1-yl)phenolate
Catalog ID
STK564749
SMILES C=CCc1cccc(c1[O-])/C=N/NC(=O)Cn1c[nH+]c2c1c(=O)n(C)c(=O)n2C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H20N6O4 MW 396.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N6O4/c1-4-6-12-7-5-8-13(16(12)27)9-21-22-14(26)10-25-11-20-17-15(25)18(28)24(3)19(29)23(17)2/h4-5,7-9,11,27H,1,6,10H2,2-3H3,(H,22,26)/b21-9+InChIKey
HSMJFZSYHWMZGB-ZVBGSRNCSA-NSynonyms
612809-12-82((E)(2((13dimethyl26dioxo1236tetrahydro7Hpurin9ium7yl)acetyl)hydrazinylidene)methyl)6(prop2en1yl)phenolate
612809128
C=CCc1cccc(c1(O))C=NNC(=O)Cn1c(nH+)c2c1c(=O)n(C)c(=O)n2C
MFCD03221253
ZINC000001240769
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